<?xml version="1.0" encoding="utf-8"?>
<TEI xmlns="http://www.tei-c.org/ns/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:hal="http://hal.archives-ouvertes.fr/" xmlns:gml="http://www.opengis.net/gml/3.3/" xmlns:gmlce="http://www.opengis.net/gml/3.3/ce" version="1.1" xsi:schemaLocation="http://www.tei-c.org/ns/1.0 http://api.archives-ouvertes.fr/documents/aofr-sword.xsd">
  <teiHeader>
    <fileDesc>
      <titleStmt>
        <title>HAL TEI export of hal-00914923</title>
      </titleStmt>
      <publicationStmt>
        <distributor>CCSD</distributor>
        <availability status="restricted">
          <licence target="https://creativecommons.org/publicdomain/zero/1.0/">CC0 1.0 - Universal</licence>
        </availability>
        <date when="2026-05-21T19:14:36+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Thiazole as a weak electron-donor unit to lower the frontier orbital energy levels of donor-acceptor alternating conjugated materials</title>
            <author role="aut">
              <persName>
                <forename type="first">Elena</forename>
                <surname>Zaborova</surname>
              </persName>
              <email type="md5">e4518891aa018460ca58049ac7711958</email>
              <email type="domain">univ-amu.fr</email>
              <idno type="idhal" notation="string">elena-zaborova</idno>
              <idno type="idhal" notation="numeric">738976</idno>
              <idno type="halauthorid" notation="string">28428-738976</idno>
              <idno type="ORCID">https://orcid.org/0000-0001-5212-9728</idno>
              <idno type="IDREF">https://www.idref.fr/151207291</idno>
              <affiliation ref="#struct-255208"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Patricia</forename>
                <surname>Chávez</surname>
              </persName>
              <idno type="halauthorid">1016569-0</idno>
              <affiliation ref="#struct-255208"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Rony</forename>
                <surname>Bechara</surname>
              </persName>
              <idno type="halauthorid">802179-0</idno>
              <affiliation ref="#struct-217648"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Patrick</forename>
                <surname>Lévêque</surname>
              </persName>
              <email type="md5">3b835d5eb50200eba2e129e06e2ad210</email>
              <email type="domain">etu.unistra.fr</email>
              <idno type="idhal" notation="numeric">1078556</idno>
              <idno type="halauthorid" notation="string">676669-1078556</idno>
              <idno type="ORCID">https://orcid.org/0000-0002-6927-9025</idno>
              <idno type="IDREF">https://www.idref.fr/233571205</idno>
              <idno type="VIAF">https://viaf.org/viaf/151154981909467742958</idno>
              <affiliation ref="#struct-217648"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Thomas</forename>
                <surname>Heiser</surname>
              </persName>
              <email type="md5">620f21fab9c17bba4d655e0f8e171de0</email>
              <email type="domain">iness.c-strasbourg.fr</email>
              <idno type="idhal" notation="numeric">1298697</idno>
              <idno type="halauthorid" notation="string">405228-1298697</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-0969-2034</idno>
              <idno type="IDREF">https://www.idref.fr/033836337</idno>
              <affiliation ref="#struct-217648"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Stéphane</forename>
                <surname>Méry</surname>
              </persName>
              <email type="md5">4309613354367cabca0cf328d387ac99</email>
              <email type="domain">ipcms.unistra.fr</email>
              <idno type="idhal" notation="string">stephane-mery</idno>
              <idno type="idhal" notation="numeric">750308</idno>
              <idno type="halauthorid" notation="string">39233-750308</idno>
              <idno type="ORCID">https://orcid.org/0000-0001-8410-8729</idno>
              <idno type="IDREF">https://www.idref.fr/098426281</idno>
              <affiliation ref="#struct-93794"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Nicolas</forename>
                <surname>Leclerc</surname>
              </persName>
              <email type="md5">399d15bdee3db9dd2ed89cc09521f667</email>
              <email type="domain">unistra.fr</email>
              <idno type="idhal" notation="string">leclercn</idno>
              <idno type="idhal" notation="numeric">739082</idno>
              <idno type="halauthorid" notation="string">7438-739082</idno>
              <idno type="ORCID">https://orcid.org/0000-0002-2466-7569</idno>
              <idno type="IDREF">https://www.idref.fr/089078144</idno>
              <affiliation ref="#struct-255208"/>
            </author>
            <editor role="depositor">
              <persName>
                <forename>Marie-Anne</forename>
                <surname>Jung</surname>
              </persName>
              <email type="md5">be34ed2ea2441c60eaaa6df41c645702</email>
              <email type="domain">iness.c-strasbourg.fr</email>
            </editor>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2013-12-06 11:54:37</date>
              <date type="whenModified">2026-02-24 03:02:37</date>
              <date type="whenReleased">2013-12-06 11:54:37</date>
              <date type="whenProduced">2013</date>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="107587">
                <persName>
                  <forename>Marie-Anne</forename>
                  <surname>Jung</surname>
                </persName>
                <email type="md5">be34ed2ea2441c60eaaa6df41c645702</email>
                <email type="domain">iness.c-strasbourg.fr</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">hal-00914923</idno>
            <idno type="halUri">https://hal.science/hal-00914923</idno>
            <idno type="halBibtex">zaborova:hal-00914923</idno>
            <idno type="halRefHtml">&lt;i&gt;Chemical Communications&lt;/i&gt;, 2013, 49 (85), pp.9938-9940. &lt;a target="_blank" href="https://dx.doi.org/10.1039/c3cc45481a"&gt;&amp;#x27E8;10.1039/c3cc45481a&amp;#x27E9;&lt;/a&gt;</idno>
            <idno type="halRef">Chemical Communications, 2013, 49 (85), pp.9938-9940. &amp;#x27E8;10.1039/c3cc45481a&amp;#x27E9;</idno>
            <availability status="restricted"/>
          </publicationStmt>
          <seriesStmt>
            <idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno>
            <idno type="stamp" n="ENGEES">Ecole Nationale du Génie de l'Eau et de l'Environnement de Strasbourg</idno>
            <idno type="stamp" n="UNIV-STRASBG">Université de Strasbourg</idno>
            <idno type="stamp" n="INSA-STRASBOURG">Institut National des Sciences Appliquées de Strasbourg</idno>
            <idno type="stamp" n="INC-CNRS">Institut de Chimie du CNRS</idno>
            <idno type="stamp" n="AGREENIUM">Archive ouverte en agrobiosciences</idno>
            <idno type="stamp" n="SITE-ALSACE">Archive ouverte du site Alsace</idno>
            <idno type="stamp" n="INSA-GROUPE">Groupe INSA</idno>
            <idno type="stamp" n="TEST2-HALCNRS">TEST2-HALCNRS</idno>
            <idno type="stamp" n="UNIVOAK">UNIVOAK</idno>
            <idno type="stamp" n="ICPEES">Institut de chimie et procédés pour l’énergie, l’environnement et la santé </idno>
            <idno type="stamp" n="IPCMS">Institut de Physique et Chimie des Matériaux de Strasbourg</idno>
            <idno type="stamp" n="UMR7357">Laboratoire des sciences de l’ingénieur, de l’informatique et de l’imagerie</idno>
          </seriesStmt>
          <notesStmt>
            <note type="audience" n="2">International</note>
            <note type="popular" n="0">No</note>
            <note type="peer" n="1">Yes</note>
          </notesStmt>
          <sourceDesc>
            <biblStruct>
              <analytic>
                <title xml:lang="en">Thiazole as a weak electron-donor unit to lower the frontier orbital energy levels of donor-acceptor alternating conjugated materials</title>
                <author role="aut">
                  <persName>
                    <forename type="first">Elena</forename>
                    <surname>Zaborova</surname>
                  </persName>
                  <email type="md5">e4518891aa018460ca58049ac7711958</email>
                  <email type="domain">univ-amu.fr</email>
                  <idno type="idhal" notation="string">elena-zaborova</idno>
                  <idno type="idhal" notation="numeric">738976</idno>
                  <idno type="halauthorid" notation="string">28428-738976</idno>
                  <idno type="ORCID">https://orcid.org/0000-0001-5212-9728</idno>
                  <idno type="IDREF">https://www.idref.fr/151207291</idno>
                  <affiliation ref="#struct-255208"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Patricia</forename>
                    <surname>Chávez</surname>
                  </persName>
                  <idno type="halauthorid">1016569-0</idno>
                  <affiliation ref="#struct-255208"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Rony</forename>
                    <surname>Bechara</surname>
                  </persName>
                  <idno type="halauthorid">802179-0</idno>
                  <affiliation ref="#struct-217648"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Patrick</forename>
                    <surname>Lévêque</surname>
                  </persName>
                  <email type="md5">3b835d5eb50200eba2e129e06e2ad210</email>
                  <email type="domain">etu.unistra.fr</email>
                  <idno type="idhal" notation="numeric">1078556</idno>
                  <idno type="halauthorid" notation="string">676669-1078556</idno>
                  <idno type="ORCID">https://orcid.org/0000-0002-6927-9025</idno>
                  <idno type="IDREF">https://www.idref.fr/233571205</idno>
                  <idno type="VIAF">https://viaf.org/viaf/151154981909467742958</idno>
                  <affiliation ref="#struct-217648"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Thomas</forename>
                    <surname>Heiser</surname>
                  </persName>
                  <email type="md5">620f21fab9c17bba4d655e0f8e171de0</email>
                  <email type="domain">iness.c-strasbourg.fr</email>
                  <idno type="idhal" notation="numeric">1298697</idno>
                  <idno type="halauthorid" notation="string">405228-1298697</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-0969-2034</idno>
                  <idno type="IDREF">https://www.idref.fr/033836337</idno>
                  <affiliation ref="#struct-217648"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Stéphane</forename>
                    <surname>Méry</surname>
                  </persName>
                  <email type="md5">4309613354367cabca0cf328d387ac99</email>
                  <email type="domain">ipcms.unistra.fr</email>
                  <idno type="idhal" notation="string">stephane-mery</idno>
                  <idno type="idhal" notation="numeric">750308</idno>
                  <idno type="halauthorid" notation="string">39233-750308</idno>
                  <idno type="ORCID">https://orcid.org/0000-0001-8410-8729</idno>
                  <idno type="IDREF">https://www.idref.fr/098426281</idno>
                  <affiliation ref="#struct-93794"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Nicolas</forename>
                    <surname>Leclerc</surname>
                  </persName>
                  <email type="md5">399d15bdee3db9dd2ed89cc09521f667</email>
                  <email type="domain">unistra.fr</email>
                  <idno type="idhal" notation="string">leclercn</idno>
                  <idno type="idhal" notation="numeric">739082</idno>
                  <idno type="halauthorid" notation="string">7438-739082</idno>
                  <idno type="ORCID">https://orcid.org/0000-0002-2466-7569</idno>
                  <idno type="IDREF">https://www.idref.fr/089078144</idno>
                  <affiliation ref="#struct-255208"/>
                </author>
              </analytic>
              <monogr>
                <idno type="halJournalId" status="VALID">11603</idno>
                <idno type="issn">1359-7345</idno>
                <idno type="eissn">1364-548X</idno>
                <title level="j">Chemical Communications</title>
                <imprint>
                  <publisher>Royal Society of Chemistry</publisher>
                  <biblScope unit="volume">49</biblScope>
                  <biblScope unit="issue">85</biblScope>
                  <biblScope unit="pp">9938-9940</biblScope>
                  <date type="datePub">2013</date>
                </imprint>
              </monogr>
              <idno type="doi">10.1039/c3cc45481a</idno>
            </biblStruct>
          </sourceDesc>
          <profileDesc>
            <langUsage>
              <language ident="en">English</language>
            </langUsage>
            <textClass>
              <classCode scheme="halDomain" n="chim.mate">Chemical Sciences/Material chemistry</classCode>
              <classCode scheme="halTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halOldTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halTreeTypology" n="ART">Journal articles</classCode>
            </textClass>
            <abstract xml:lang="en">
              <p>We demonstrate that the substitution of the thiophene by the thiazole heterocyclic compound as a weak electron-donor unit, in donor-acceptor alternating conjugated materials, allows a simultaneous downshift of both HOMO and LUMO levels while keeping the energy bandgap almost unchanged.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="laboratory" xml:id="struct-255208" status="VALID">
          <idno type="IdRef">157548457</idno>
          <idno type="ISNI">0000 0004 0367 8386</idno>
          <idno type="RNSR">199712580S</idno>
          <idno type="ROR">https://ror.org/02tn0tm63</idno>
          <idno type="Wikidata">Q30261387</idno>
          <orgName>Institut de chimie et procédés pour l'énergie, l'environnement et la santé</orgName>
          <orgName type="acronym">ICPEES</orgName>
          <date type="start">1997-01-01</date>
          <desc>
            <address>
              <addrLine>Institut de chimie et procédés pour l'énergie, l'environnement et la santé (ICPEES) ECPM 25 rue Becquerel 67087 Strasbourg Cedex 2</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://icpees.unistra.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-199013" type="direct"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="UMR7515" active="#struct-441569" type="direct"/>
            <relation active="#struct-529627" type="direct"/>
            <relation name="FR3627" active="#struct-199013" type="direct"/>
            <relation active="#struct-237692" type="indirect"/>
            <relation active="#struct-303623" type="indirect"/>
            <relation name="FR3627" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="laboratory" xml:id="struct-217648" status="VALID">
          <idno type="IdRef">176969721</idno>
          <idno type="RNSR">201320497C</idno>
          <idno type="ROR">https://ror.org/00k4e5n71</idno>
          <idno type="Wikidata">Q30262162</idno>
          <orgName>Laboratoire des sciences de l'ingénieur, de l'informatique et de l'imagerie</orgName>
          <orgName type="acronym">ICube</orgName>
          <date type="start">2013-01-01</date>
          <desc>
            <address>
              <addrLine>300 bd Sébastien Brant - BP 10413 - F-67412 Illkirch Cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://icube.unistra.fr</ref>
          </desc>
          <listRelation>
            <relation active="#struct-94023" type="direct"/>
            <relation active="#struct-199013" type="direct"/>
            <relation active="#struct-211628" type="direct"/>
            <relation active="#struct-261615" type="direct"/>
            <relation active="#struct-301232" type="indirect"/>
            <relation name="UMR7357" active="#struct-441569" type="direct"/>
            <relation active="#struct-529627" type="direct"/>
            <relation name="FR3627" active="#struct-199013" type="direct"/>
            <relation active="#struct-237692" type="indirect"/>
            <relation active="#struct-303623" type="indirect"/>
            <relation active="#struct-341038" type="indirect"/>
            <relation name="FR3627" active="#struct-441569" type="direct"/>
            <relation active="#struct-529628" type="direct"/>
            <relation name="FR3678" active="#struct-199013" type="direct"/>
            <relation active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="laboratory" xml:id="struct-93794" status="VALID">
          <idno type="IdRef">151842973</idno>
          <idno type="ISNI">0000000096632512</idno>
          <idno type="RNSR">199712572H</idno>
          <idno type="ROR">https://ror.org/02za18p66</idno>
          <idno type="Wikidata">Q30261348</idno>
          <orgName>Institut de Physique et Chimie des Matériaux de Strasbourg</orgName>
          <orgName type="acronym">IPCMS</orgName>
          <date type="start">2009-01-01</date>
          <desc>
            <address>
              <addrLine>23 rue du Loess - BP 43 - 67034 Strasbourg Cedex 2 - France</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.ipcms.unistra.fr</ref>
          </desc>
          <listRelation>
            <relation active="#struct-199013" type="direct"/>
            <relation name="UMR7504" active="#struct-441569" type="direct"/>
            <relation active="#struct-529627" type="direct"/>
            <relation name="FR3627" active="#struct-199013" type="direct"/>
            <relation active="#struct-237692" type="indirect"/>
            <relation active="#struct-303623" type="indirect"/>
            <relation active="#struct-341038" type="indirect"/>
            <relation name="FR3627" active="#struct-441569" type="direct"/>
            <relation active="#struct-529628" type="direct"/>
            <relation name="FR3678" active="#struct-199013" type="direct"/>
            <relation active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-199013" status="VALID">
          <idno type="IdRef">131056549</idno>
          <idno type="ROR">https://ror.org/00pg6eq24</idno>
          <orgName>Université de Strasbourg</orgName>
          <orgName type="acronym">UNISTRA</orgName>
          <desc>
            <address>
              <addrLine>4 rue Blaise Pascal - CS 90032 - 67081 Strasbourg cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.unistra.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-341038" status="VALID">
          <idno type="IdRef">232435103</idno>
          <idno type="ISNI">000000010626358X</idno>
          <idno type="ROR">https://ror.org/02cte4b68</idno>
          <orgName>Institut de Chimie - CNRS Chimie</orgName>
          <orgName type="acronym">INC-CNRS</orgName>
          <date type="start">2009-10-01</date>
          <desc>
            <address>
              <addrLine>CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE3 rue Michel-Ange75794 PARIS CEDEX 16 - France</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.cnrs.fr/inc</ref>
          </desc>
        </org>
        <org type="regroupinstitution" xml:id="struct-441569" status="VALID">
          <idno type="IdRef">02636817X</idno>
          <idno type="ISNI">0000000122597504</idno>
          <idno type="ROR">https://ror.org/02feahw73</idno>
          <orgName>Centre National de la Recherche Scientifique</orgName>
          <orgName type="acronym">CNRS</orgName>
          <date type="start">1939-10-19</date>
          <desc>
            <address>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.cnrs.fr/</ref>
          </desc>
        </org>
        <org type="regrouplaboratory" xml:id="struct-529627" status="VALID">
          <idno type="RNSR">201420878M</idno>
          <orgName>Matériaux et Nanosciences Grand-Est</orgName>
          <orgName type="acronym">MNGE</orgName>
          <date type="start">2014-01-01</date>
          <desc>
            <address>
              <country key="FR"/>
            </address>
          </desc>
          <listRelation>
            <relation name="FR3627" active="#struct-199013" type="direct"/>
            <relation active="#struct-237692" type="direct"/>
            <relation active="#struct-303623" type="direct"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="FR3627" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-237692" status="VALID">
          <idno type="IdRef">026403250</idno>
          <idno type="ISNI">0000000404735039</idno>
          <idno type="ROR">https://ror.org/04k8k6n84</idno>
          <orgName>Université de Haute-Alsace (UHA) Mulhouse - Colmar</orgName>
          <orgName type="acronym">Université de Haute-Alsace (UHA)</orgName>
          <desc>
            <address>
              <addrLine>2, rue des Frères Lumière F-68093 Mulhouse Cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.uha.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-303623" status="VALID">
          <idno type="IdRef">026388278</idno>
          <idno type="ROR">https://ror.org/02vjkv261</idno>
          <orgName>Institut National de la Santé et de la Recherche Médicale</orgName>
          <orgName type="acronym">INSERM</orgName>
          <desc>
            <address>
              <addrLine>101, rue de Tolbiac, 75013 Paris</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.inserm.fr</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-94023" status="VALID">
          <idno type="ROR">https://ror.org/02jhjzd11</idno>
          <orgName>École Nationale du Génie de l'Eau et de l'Environnement de Strasbourg</orgName>
          <orgName type="acronym">ENGEES</orgName>
          <desc>
            <address>
              <addrLine>1 quai Koch - BP 61039 - 67070 Strasbourg Cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://engees.unistra.fr</ref>
          </desc>
        </org>
        <org type="regroupinstitution" xml:id="struct-211628" status="VALID">
          <idno type="IdRef">030378842</idno>
          <idno type="ROR">https://ror.org/04bckew43</idno>
          <orgName>Hôpitaux Universitaires de Strasbourg</orgName>
          <orgName type="acronym">HUS</orgName>
          <desc>
            <address>
              <addrLine>1 place de l'hôpital BP 426 67091 Strasbourg cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.chru-strasbourg.fr/</ref>
          </desc>
        </org>
        <org type="regrouplaboratory" xml:id="struct-261615" status="VALID">
          <orgName>Institut National des Sciences Appliquées - Strasbourg</orgName>
          <orgName type="acronym">INSA Strasbourg</orgName>
          <desc>
            <address>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.insa-strasbourg.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-301232" type="direct"/>
          </listRelation>
        </org>
        <org type="regroupinstitution" xml:id="struct-301232" status="VALID">
          <idno type="IdRef">162105150</idno>
          <orgName>Institut National des Sciences Appliquées</orgName>
          <orgName type="acronym">INSA</orgName>
          <desc>
            <address>
              <country key="FR"/>
            </address>
          </desc>
        </org>
        <org type="regrouplaboratory" xml:id="struct-529628" status="VALID">
          <orgName>Réseau nanophotonique et optique</orgName>
          <desc>
            <address>
              <country key="FR"/>
            </address>
          </desc>
          <listRelation>
            <relation name="FR3678" active="#struct-199013" type="direct"/>
            <relation active="#struct-237692" type="direct"/>
            <relation active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
      </listOrg>
    </back>
  </text>
</TEI>